[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine

C15H30N2 — CID 103562947

IUPAC[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine
SMILESCCCC1CCCN(C2(CN)CC(C)C2)CC1
InChIInChI=1S/C15H30N2/c1-3-5-14-6-4-8-17(9-7-14)15(12-16)10-13(2)11-15/h13-14H,3-12,16H2,1-2H3
InChIKeyHFAONOHRTXSPGD-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.02
Rot. Bonds4

About [3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine

[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine (PubChem CID 103562947) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is [3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine
PubChem CID103562947
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine
SMILESCCCC1CCCN(C2(CN)CC(C)C2)CC1
InChIInChI=1S/C15H30N2/c1-3-5-14-6-4-8-17(9-7-14)15(12-16)10-13(2)11-15/h13-14H,3-12,16H2,1-2H3
InChIKeyHFAONOHRTXSPGD-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
CID 65084993
[5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 79949160
[3,3-dimethyl-1-(4-propylpiperidin-1-yl)cyclopentyl]methanamine
CID 80705055
[1-(3-propylpyrrolidin-1-yl)cycloheptyl]methanamine
CID 113417185
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine
CID 103562954
[1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
CID 62199436
[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562756
[3,5-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methanamine
CID 103494626
[3-methyl-1-(2-propylpiperidin-1-yl)cyclobutyl]methanamine
CID 103563116
[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine
CID 65089002
[3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 113417179
[1-(azocan-1-yl)-3-methylcyclopentyl]methanamine
CID 64501768

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine?
The IUPAC name of [3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine (CID 103562947) is [3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for [3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine?
The canonical SMILES for [3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine is CCCC1CCCN(C2(CN)CC(C)C2)CC1.
What is the InChIKey of [3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine?
The InChIKey is HFAONOHRTXSPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-5-14-6-4-8-17(9-7-14)15(12-16)10-13(2)11-15/h13-14H,3-12,16H2,1-2H3.
What are the key properties of [3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine?
[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine has a molecular weight of 238.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine is sourced from PubChem (CID 103562947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).